General Information of the Compound
| Compound ID |
CP0513126
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| Compound Name |
1-[5-[4-(2,4-difluorophenyl)piperazin-1-yl]pentyl]-3-[(4-fluorophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride
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| Structure |
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| Formula |
C27H33F3N4O2
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| Molecular Weight |
502.581
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| Canonical SMILES |
CC1(C)N(CCCCCN2CCN(CC2)c2ccc(F)cc2F)C(=O)N(Cc2ccc(F)cc2)C1=O
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| InChI |
InChI=1S/C27H33F3N4O2.ClH/c1-27(2)25(35)33(19-20-6-8-21(28)9-7-20)26(36)34(27)13-5-3-4-12-31-14-16-32(17-15-31)24-11-10-22(29)18-23(24)30;/h6-11,18H,3-5,12-17,19H2,1-2H3;1H
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| InChIKey |
VTOCZKVEOGTXDG-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7